[4-(2-nitrophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(2-nitrophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(2-nitrophenyl)-1-piperazinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2-nitrophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-nitrophenyl)piperazino]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c26-21(17-7-9-18(10-8-17)31(29,30)24-11-3-4-12-24)23-15-13-22(14-16-23)19-5-1-2-6-20(19)25(27)28/h1-2,5-10H,3-4,11-16H2